SCHEMBL28060653

SCHEMBL28060653

COc1cc(CC2CCCCC2=O)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA4 P22748 3/20 0.65
CA6 P23280 3/20 0.65
SHBG P04278 3/20 0.53
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7041587 0.87 CA2 (0.70) CA1CA2CA4CA6CYP3A4
SCHEMBL8116308 0.86 SHBG (0.59) CA1CA2CA4CA6SHBG
SCHEMBL7489248 0.85 CA1 (0.67) CA1CA2CA4CA6ALDH1A1
SCHEMBL4193201 0.83 PTGS2 (0.49) CA1CA2CA4CA6KMT2A
SCHEMBL6225548 0.83 PTGS2 (0.49) CA1CA2CA4CA6KMT2A
SCHEMBL11797046 0.81 CA1 (0.50) CA1CA2CA4CA6KMT2A
SCHEMBL11795131 0.79 SHBG (0.49) CA1CA2CA4CA6SHBG
SCHEMBL3144588 0.78 CA1 (0.57) CA1CA2CA4CA6ALDH1A1
SCHEMBL8065454 0.78 CA1 (0.57) CA1CA2CA4CA6ALDH1A1
SCHEMBL8065224 0.78 CA1 (0.57) CA1CA2CA4CA6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105522839-A Water writing paper capable of being repeatedly used UNIV JILIN 2016-04-27 CN disclosed
CN-105500968-A Reusable water writing paper UNIV JILIN 2016-04-20 CN disclosed